2-ethenoxyperoxydec-1-ene

C12H22O3 — CID 175776910

IUPAC2-ethenoxyperoxydec-1-ene
SMILESC=COOOC(=C)CCCCCCCC
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-10-11-12(3)14-15-13-5-2/h5H,2-4,6-11H2,1H3
InChIKeySUKDOXYQLLXFIJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP4.27
Rot. Bonds11

About 2-ethenoxyperoxydec-1-ene

2-ethenoxyperoxydec-1-ene (PubChem CID 175776910) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethenoxyperoxydec-1-ene.

Molecular Properties

Compound Name2-ethenoxyperoxydec-1-ene
PubChem CID175776910
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethenoxyperoxydec-1-ene
SMILESC=COOOC(=C)CCCCCCCC
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-10-11-12(3)14-15-13-5-2/h5H,2-4,6-11H2,1H3
InChIKeySUKDOXYQLLXFIJ-UHFFFAOYSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
2-methoxyicos-1-ene
CID 175283491
1-oct-1-en-2-yloxydodecane
CID 58247133
1-hex-1-en-2-ylperoxyhexane
CID 59929364
1-ethenylperoxyperoxyhexane
CID 18622337
N,N-dimethylhydroxylamine;1-ethenoxyperoxydodecane
CID 172844761
1-ethenylperoxyperoxyperoxyoctadecane
CID 87099660
3-methylidenetridec-1-ene
CID 3776253
2-icos-1-en-2-yloxyethanol
CID 141375140
1-ethenylperoxyoctane
CID 71433457
dodec-1-en-2-yl hydrogen carbonate
CID 87655862
ethenyl octacosanoate
CID 54439588

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyperoxydec-1-ene?
The IUPAC name of 2-ethenoxyperoxydec-1-ene (CID 175776910) is 2-ethenoxyperoxydec-1-ene.
What is the SMILES notation for 2-ethenoxyperoxydec-1-ene?
The canonical SMILES for 2-ethenoxyperoxydec-1-ene is C=COOOC(=C)CCCCCCCC.
What is the InChIKey of 2-ethenoxyperoxydec-1-ene?
The InChIKey is SUKDOXYQLLXFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-6-7-8-9-10-11-12(3)14-15-13-5-2/h5H,2-4,6-11H2,1H3.
What are the key properties of 2-ethenoxyperoxydec-1-ene?
2-ethenoxyperoxydec-1-ene has a molecular weight of 214.30 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyperoxydec-1-ene is sourced from PubChem (CID 175776910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).